Browse entries in the PDBbind-CN Database

Display Options: Structure:  

Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 6mdc
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3o5xRCSB PDB    PDBbind276aa, >3O5X_1|Chain... at 97%
3tkzRCSB PDB    PDBbind109aa, >3TKZ_1|Chain... at 96%
3tl0RCSB PDB    PDBbind109aa, >3TL0_1|Chain... at 96%
5ehpRCSB PDB    PDBbind526aa, >5EHP_1|Chains... at 99%
5ehrRCSB PDB    PDBbind526aa, >5EHR_1|Chains... at 99%
5xzrRCSB PDB    PDBbind557aa, >5XZR_1|Chain... *
6bmrRCSB PDB    PDBbind526aa, >6BMR_1|Chains... at 99%
6bmvRCSB PDB    PDBbind526aa, >6BMV_1|Chains... at 99%
6bmxRCSB PDB    PDBbind526aa, >6BMX_1|Chains... at 99%
6cmrRCSB PDB    PDBbind532aa, >6CMR_1|Chain... at 99%
6cmsRCSB PDB    PDBbind532aa, >6CMS_1|Chain... at 99%
6mdbRCSB PDB    PDBbind526aa, >6MDB_1|Chains... at 99%
6md7RCSB PDB    PDBbind526aa, >6MD7_1|Chains... at 99%
6mddRCSB PDB    PDBbind526aa, >6MDD_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6mdc
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSHP2
Ligand NameJEA
EC.Number E.C.
Resolution 2.14(Å)
Affinity (Kd/Ki/IC50)IC50=0.036uM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J. Med. Chem. Vol. 62: pp. 1781-1792
Ligand Properties
Formula C23H31ClN8O2
Molecular Weight 486.998
Exact Mass 486.226
No. of atoms 65
No. of bonds 70
Polar Surface Area 130.45
LOGP Value 0.79      (Computed with XLOGP3)
1.12      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 6
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): Q06124  
Entrez Gene IDNCBI Entrez Gene ID: 5781  
ASDInformation of known allosteric effects of PDB entries

This site has been visited times since Nov 2007.

Copyright ©2007-2024    涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃    缃戠珯澶囨鍙凤細娌狪CP澶2021015625鍙-3    娌叕缃戝畨澶囷細姝e湪鐢宠涓

Technical Support锛堟妧鏈敮鎸侊級: